SCHEMBL4373280

SCHEMBL4373280

NCc1ccc(Oc2cnc(C(F)(F)F)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.52
MAOB P27338 12/20 0.47
LOXL2 Q9Y4K0 3/20 0.42
LOX P28300 2/20 0.42
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1713787 0.98 MAOB (0.50) ST14MAOBLOXL2LOX
Hydrochloric Acid SCHEMBL4221868 0.88 LOXL2 (0.49) ST14MAOBLOXL2
SCHEMBL875696 0.83 LTA4H (0.50)
SCHEMBL9901279 0.83 FAAH (0.36) ST14MAOB
SCHEMBL24400581 0.83 THRB (0.39) MAOBLOXL2LOX
SCHEMBL4375266 0.82 ST14 (0.50) ST14MAOBLOXL2LOX
SCHEMBL9103247 0.81 FAAH (0.42)
SCHEMBL1713357 0.80 CACNA1B (0.39) LOXL2
SCHEMBL922221 0.77 MAOB (0.69) ST14MAOB
SCHEMBL9106578 0.76 FAAH (0.37) ST14MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed